SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'AP5'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AEG_A_4APA296_1
(CYTOCHROME C
PEROXIDASE)		 2aky ADENYLATE KINASE
(Saccharomyces
cerevisiae) 		4 / 8 GLY A  11
THR A 184
GLY A  90
LEU A  62
 None
None
AP5  A 301 (-4.3A)
AP5  A 301 ( 4.1A)
 0.85A 1aegA-2akyA:
undetectable		 1aegA-2akyA:
20.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BX4_A_ADNA350_1
(PROTEIN (ADENOSINE
KINASE))		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		11 / 12 ASN A  13
ASP A  17
LEU A  39
GLY A  62
GLY A  63
ASN A  67
CYH A 123
ALA A 136
LEU A 138
PHE A 169
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.7A)
AP5  A 346 (-3.5A)
None
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.29A 1bx4A-3otxA:
49.7		 1bx4A-3otxA:
40.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BX4_A_ADNA355_1
(PROTEIN (ADENOSINE
KINASE))		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		9 / 12 THR A 264
THR A 270
VAL A 283
GLN A 288
ALA A 297
GLY A 298
HIS A 323
ALA A 326
ILE A 330
 AP5  A 346 (-3.6A)
AP5  A 346 (-4.5A)
AP5  A 346 (-4.1A)
AP5  A 346 (-3.1A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.2A)
AP5  A 346 (-3.8A)
AP5  A 346 (-3.0A)
AP5  A 346 (-4.9A)
 0.58A 1bx4A-3otxA:
49.7		 1bx4A-3otxA:
40.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DGM_A_ADNA375_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		5 / 9 ASN A  13
ASP A  17
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.45A 1dgmA-3otxA:
40.3		 1dgmA-3otxA:
34.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DGM_A_ADNA375_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		5 / 9 ASP A  17
GLY A  63
ASN A  67
CYH A 123
ASP A 299
 AP5  A 346 (-2.8A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.7A)
AP5  A 346 ( 3.2A)
 0.65A 1dgmA-3otxA:
40.3		 1dgmA-3otxA:
34.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DGM_A_ADNA375_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		5 / 9 ASP A  17
GLY A  63
ASN A  67
CYH A 123
LEU A 134
 AP5  A 346 (-2.8A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.7A)
AP5  A 346 ( 4.4A)
 0.69A 1dgmA-3otxA:
40.3		 1dgmA-3otxA:
34.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HXB_A_ROCA100_4
(HIV-1 PROTEASE)		 1s3g ADENYLATE KINASE
(Sporosarcina
globispora) 		4 / 4 GLY A  32
ASP A  84
GLY A   7
THR A  89
 AP5  A 218 (-3.6A)
AP5  A 218 ( 4.7A)
None
None
 1.00A 1hxbB-1s3gA:
undetectable		 1hxbB-1s3gA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HXB_A_ROCA100_4
(HIV-1 PROTEASE)		 1zip ADENYLATE KINASE
(Geobacillus
stearothermophil
us) 		4 / 4 GLY A  32
ASP A  84
GLY A   7
THR A  89
 AP5  A 218 (-3.6A)
MN  A 220 ( 4.3A)
None
None
 0.91A 1hxbB-1zipA:
undetectable		 1hxbB-1zipA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HXB_A_ROCA100_4
(HIV-1 PROTEASE)		 3dl0 ADENYLATE KINASE
(Bacillus
subtilis) 		4 / 4 GLY A  32
ASP A  84
GLY A   7
THR A  89
 AP5  A 218 (-3.5A)
MG  A 220 ( 4.3A)
None
None
 0.95A 1hxbB-3dl0A:
undetectable		 1hxbB-3dl0A:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HXB_A_ROCA100_4
(HIV-1 PROTEASE)		 5g3z ADENYLATE KINSE
(synthetic
construct) 		4 / 4 GLY A  32
ASP A  84
GLY A   7
THR A  89
 AP5  A1217 (-3.6A)
MG  A1218 ( 4.4A)
None
None
 0.91A 1hxbB-5g3zA:
undetectable		 1hxbB-5g3zA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I3W_E_DVAE2_0
(ACTINOMYCIN D)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		3 / 3 THR A 270
PRO A 282
THR A 280
 AP5  A 346 (-4.5A)
None
None
 0.83A 1i3wE-3otxA:
undetectable		 1i3wE-3otxA:
3.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JTX_A_CVIA200_0
(HYPOTHETICAL
TRANSCRIPTIONAL
REGULATOR IN QACA
5'REGION)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		5 / 12 THR A 321
TYR A 324
ILE A 330
ILE A 108
ALA A  69
 None
None
AP5  A 346 (-4.9A)
None
None
 1.00A 1jtxA-3otxA:
undetectable		 1jtxA-3otxA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KT4_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		5 / 12 LEU A 144
LEU A 138
ALA A 124
ALA A 136
VAL A 173
 None
None
None
AP5  A 346 (-3.5A)
None
 1.34A 1kt4A-3otxA:
undetectable		 1kt4A-3otxA:
20.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LII_A_ADNA699_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		9 / 12 ASN A  13
ASP A  17
LEU A  39
GLY A  62
GLY A  63
ASN A  67
CYH A 123
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.7A)
None
AP5  A 346 ( 3.2A)
 0.35A 1liiA-3otxA:
45.1		 1liiA-3otxA:
34.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LIK_A_ADNA699_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		8 / 12 ASN A  13
ASP A  17
LEU A  39
GLY A  62
GLY A  63
ASN A  67
CYH A 123
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.7A)
AP5  A 346 ( 3.2A)
 0.41A 1likA-3otxA:
44.8		 1likA-3otxA:
34.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LIK_A_ADNA799_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 10 THR A 264
VAL A 283
ALA A 297
ALA A 326
GLN A 327
ILE A 330
 AP5  A 346 (-3.6A)
AP5  A 346 (-4.1A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.0A)
AP5  A 346 (-4.1A)
AP5  A 346 (-4.9A)
 0.48A 1likA-3otxA:
44.8		 1likA-3otxA:
34.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OVF_B_DVAB2_0
(ACTINOMYCIN D)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		3 / 3 THR A 270
PRO A 282
THR A 280
 AP5  A 346 (-4.5A)
None
None
 0.89A 1ovfB-3otxA:
undetectable		 1ovfB-3otxA:
3.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6K_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		4 / 8 SER A 167
ASN A  13
ASN A 195
ASP A 299
 None
AP5  A 346 (-4.1A)
None
AP5  A 346 ( 3.2A)
 0.97A 1p6kA-3otxA:
undetectable		 1p6kA-3otxA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6K_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5xru ADENYLATE KINASE
(Notothenia
coriiceps) 		4 / 5 GLY A  22
GLN A  24
VAL A  13
SER A  19
 AP5  A 201 (-3.5A)
None
None
AP5  A 201 (-3.5A)
 1.17A 1p6kB-5xruA:
undetectable		 1p6kB-5xruA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6K_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		4 / 8 SER A 167
ASN A  13
ASN A 195
ASP A 299
 None
AP5  A 346 (-4.1A)
None
AP5  A 346 ( 3.2A)
 0.96A 1p6kB-3otxA:
undetectable		 1p6kB-3otxA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS6_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		4 / 8 SER A 167
ASN A  13
ASN A 195
ASP A 299
 None
AP5  A 346 (-4.1A)
None
AP5  A 346 ( 3.2A)
 1.00A 1rs6A-3otxA:
undetectable		 1rs6A-3otxA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS6_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5xru ADENYLATE KINASE
(Notothenia
coriiceps) 		4 / 5 GLY A  22
GLN A  24
VAL A  13
SER A  19
 AP5  A 201 (-3.5A)
None
None
AP5  A 201 (-3.5A)
 1.15A 1rs6B-5xruA:
undetectable		 1rs6B-5xruA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS6_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		4 / 8 SER A 167
ASN A  13
ASN A 195
ASP A 299
 None
AP5  A 346 (-4.1A)
None
AP5  A 346 ( 3.2A)
 0.96A 1rs6B-3otxA:
undetectable		 1rs6B-3otxA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS7_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		4 / 8 SER A 167
ASN A  13
ASN A 195
ASP A 299
 None
AP5  A 346 (-4.1A)
None
AP5  A 346 ( 3.2A)
 1.00A 1rs7B-3otxA:
undetectable		 1rs7B-3otxA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T9W_A_NFNA6001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 3be4 ADENYLATE KINASE
(Cryptosporidium
parvum) 		3 / 3 SER A  16
GLY A  15
ARG A  93
 AP5  A 219 (-3.7A)
AP5  A 219 (-3.3A)
AP5  A 219 (-2.6A)
 0.62A 1t9wA-3be4A:
undetectable		 1t9wA-3be4A:
11.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T9W_A_NFNA6001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 5xru ADENYLATE KINASE
(Notothenia
coriiceps) 		3 / 3 SER A  19
GLY A  18
ARG A  97
 AP5  A 201 (-3.5A)
AP5  A 201 (-3.5A)
AP5  A 201 (-3.1A)
 0.42A 1t9wA-5xruA:
undetectable		 1t9wA-5xruA:
5.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZQ_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		4 / 8 SER A 167
ASN A  13
ASN A 195
ASP A 299
 None
AP5  A 346 (-4.1A)
None
AP5  A 346 ( 3.2A)
 0.95A 1zzqA-3otxA:
undetectable		 1zzqA-3otxA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZQ_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5xru ADENYLATE KINASE
(Notothenia
coriiceps) 		4 / 5 GLY A  22
GLN A  24
VAL A  13
SER A  19
 AP5  A 201 (-3.5A)
None
None
AP5  A 201 (-3.5A)
 1.25A 1zzqB-5xruA:
undetectable		 1zzqB-5xruA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZQ_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		4 / 8 SER A 167
ASN A  13
ASN A 195
ASP A 299
 None
AP5  A 346 (-4.1A)
None
AP5  A 346 ( 3.2A)
 0.93A 1zzqB-3otxA:
undetectable		 1zzqB-3otxA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZU_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		4 / 8 SER A 167
ASN A  13
ASN A 195
ASP A 299
 None
AP5  A 346 (-4.1A)
None
AP5  A 346 ( 3.2A)
 0.96A 1zzuA-3otxA:
undetectable		 1zzuA-3otxA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZU_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5xru ADENYLATE KINASE
(Notothenia
coriiceps) 		4 / 5 GLY A  22
GLN A  24
VAL A  13
SER A  19
 AP5  A 201 (-3.5A)
None
None
AP5  A 201 (-3.5A)
 1.19A 1zzuB-5xruA:
undetectable		 1zzuB-5xruA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZU_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		4 / 8 SER A 167
ASN A  13
ASN A 195
ASP A 299
 None
AP5  A 346 (-4.1A)
None
AP5  A 346 ( 3.2A)
 0.95A 1zzuB-3otxA:
undetectable		 1zzuB-3otxA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		 3be4 ADENYLATE KINASE
(Cryptosporidium
parvum) 		5 / 12 PRO A  14
LYS A  18
GLY A  37
ARG A  41
ARG A 176
 AP5  A 219 (-4.3A)
AP5  A 219 (-2.9A)
AP5  A 219 (-3.4A)
AP5  A 219 (-3.3A)
AP5  A 219 (-3.4A)
 1.12A 2axnA-3be4A:
12.6		 2axnA-3be4A:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BPX_B_MK1B902_2
(HIV-1 PROTEASE)		 4w5j ADENYLATE KINASE
(Streptococcus
pneumoniae) 		6 / 12 ARG A  89
ASP A  85
GLY A  14
ALA A  17
ILE A 204
ILE A   5
 AP5  A 302 (-2.7A)
MG  A 301 ( 4.6A)
AP5  A 302 (-3.5A)
None
None
None
 1.50A 2bpxB-4w5jA:
undetectable		 2bpxB-4w5jA:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C49_A_ADNA1301_1
(SUGAR KINASE MJ0406)		 2aky ADENYLATE KINASE
(Saccharomyces
cerevisiae) 		5 / 12 GLY A  60
GLY A  61
ALA A 179
THR A 184
ASP A  65
 None
AP5  A 301 (-4.9A)
None
None
None
 1.10A 2c49A-2akyA:
undetectable		 2c49A-2akyA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C49_A_ADNA1301_1
(SUGAR KINASE MJ0406)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		5 / 12 ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.22A 2c49A-3otxA:
28.7		 2c49A-3otxA:
25.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C49_B_ADNB1301_1
(SUGAR KINASE MJ0406)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		4 / 7 ASP A  17
GLY A  62
GLY A  63
ASN A  67
 AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
 0.49A 2c49B-3otxA:
27.3		 2c49B-3otxA:
25.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		 1zak ADENYLATE KINASE
(Zea
mays) 		5 / 12 LEU A 170
VAL A 166
VAL A 126
GLY A  12
LEU A  40
 None
None
None
None
AP5  A 223 (-4.7A)
 1.14A 2cbrA-1zakA:
undetectable		 2cbrA-1zakA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HZQ_A_STRA300_1
(APOLIPOPROTEIN D)		 2aky ADENYLATE KINASE
(Saccharomyces
cerevisiae) 		4 / 7 THR A  35
ALA A 115
TYR A 191
LEU A 112
 AP5  A 301 (-3.0A)
None
None
None
 1.12A 2hzqA-2akyA:
undetectable		 2hzqA-2akyA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2J2P_A_SC2A1290_1
(FICOLIN-2)		 1zak ADENYLATE KINASE
(Zea
mays) 		4 / 5 ASP A  90
SER A  35
GLY A  19
ARG A 158
 None
None
AP5  A 223 (-3.6A)
AP5  A 223 (-2.9A)
 1.08A 2j2pA-1zakA:
undetectable
2j2pB-1zakA:
undetectable		 2j2pA-1zakA:
21.43
2j2pB-1zakA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		5 / 12 ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.14A 2pkkA-3otxA:
27.8		 2pkkA-3otxA:
24.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		5 / 12 ASP A 299
PHE A 169
ALA A 136
GLY A  62
ASP A  17
 AP5  A 346 ( 3.2A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.6A)
AP5  A 346 (-2.8A)
 1.01A 2pkkA-3otxA:
27.8		 2pkkA-3otxA:
24.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKM_A_ADNA501_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		5 / 12 ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.14A 2pkmA-3otxA:
27.4		 2pkmA-3otxA:
24.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q58_A_ZOLA1_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 3dl0 ADENYLATE KINASE
(Bacillus
subtilis) 		5 / 10 LEU A 124
ASP A 163
ASP A 162
THR A 136
ASP A  33
 AP5  A 218 (-4.9A)
None
None
AP5  A 218 ( 4.5A)
MG  A 220 ( 4.9A)
 1.35A 2q58A-3dl0A:
undetectable		 2q58A-3dl0A:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q58_A_ZOLA1_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 4w5j ADENYLATE KINASE
(Streptococcus
pneumoniae) 		5 / 10 LEU A 125
ASP A 159
ASP A 158
THR A 137
ASP A  33
 None
None
AP5  A 302 ( 4.6A)
AP5  A 302 (-3.0A)
None
 1.32A 2q58A-4w5jA:
undetectable		 2q58A-4w5jA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y00_A_Y00A601_1
(BETA-1 ADRENERGIC
RECEPTOR)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		5 / 12 VAL A  84
VAL A  60
SER A  19
ASN A 295
ASN A  67
 None
None
None
None
AP5  A 346 (-3.4A)
 1.40A 2y00A-3otxA:
undetectable		 2y00A-3otxA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG1_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 5g3z ADENYLATE KINSE
(synthetic
construct) 		5 / 11 GLU A  18
THR A  15
THR A 136
ARG A  71
GLY A  32
 None
AP5  A1217 (-3.6A)
AP5  A1217 (-3.1A)
None
AP5  A1217 (-3.6A)
 1.39A 3ag1A-5g3zA:
undetectable
3ag1B-5g3zA:
undetectable
3ag1T-5g3zA:
undetectable		 3ag1A-5g3zA:
15.80
3ag1B-5g3zA:
23.05
3ag1T-5g3zA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG1_O_CHDO229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 5g3z ADENYLATE KINSE
(synthetic
construct) 		5 / 11 ARG A  71
GLY A  32
GLU A  18
THR A  15
THR A 136
 None
AP5  A1217 (-3.6A)
None
AP5  A1217 (-3.6A)
AP5  A1217 (-3.1A)
 1.34A 3ag1G-5g3zA:
undetectable
3ag1N-5g3zA:
undetectable
3ag1O-5g3zA:
undetectable		 3ag1G-5g3zA:
14.29
3ag1N-5g3zA:
15.80
3ag1O-5g3zA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C6G_A_VD3A701_1
(CYTOCHROME P450 2R1)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 LEU A  39
LEU A  32
ALA A 136
ALA A 198
GLY A  35
ILE A  47
 None
None
AP5  A 346 (-3.5A)
None
None
None
 1.19A 3c6gA-3otxA:
undetectable		 3c6gA-3otxA:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FRQ_A_ERYA195_0
(REPRESSOR PROTEIN
MPHR(A))		 1s3g ADENYLATE KINASE
(Sporosarcina
globispora) 		5 / 12 THR A  89
VAL A  63
MET A  53
SER A  30
ILE A  39
 None
None
AP5  A 218 (-4.2A)
AP5  A 218 ( 4.7A)
None
 1.37A 3frqA-1s3gA:
undetectable		 3frqA-1s3gA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IB2_A_IBPA3960_1
(LACTOTRANSFERRIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		4 / 4 GLY A 296
VAL A 329
GLY A 322
THR A 321
 AP5  A 346 (-3.2A)
None
None
None
 0.80A 3ib2A-3otxA:
undetectable		 3ib2A-3otxA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IXL_A_PACA5000_0
(ARYLMALONATE
DECARBOXYLASE)		 5xru ADENYLATE KINASE
(Notothenia
coriiceps) 		5 / 10 SER A 175
MET A 125
VAL A  13
GLY A  16
GLY A  15
 AP5  A 201 ( 4.7A)
None
None
None
None
 1.32A 3ixlA-5xruA:
undetectable		 3ixlA-5xruA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_D_ROCD201_2
(HIV-1 PROTEASE)		 1s3g ADENYLATE KINASE
(Sporosarcina
globispora) 		4 / 4 GLY A  32
ASP A  84
GLY A   7
THR A  89
 AP5  A 218 (-3.6A)
AP5  A 218 ( 4.7A)
None
None
 0.98A 3k4vC-1s3gA:
undetectable		 3k4vC-1s3gA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_D_ROCD201_2
(HIV-1 PROTEASE)		 1zip ADENYLATE KINASE
(Geobacillus
stearothermophil
us) 		4 / 4 GLY A  32
ASP A  84
GLY A   7
THR A  89
 AP5  A 218 (-3.6A)
MN  A 220 ( 4.3A)
None
None
 0.90A 3k4vC-1zipA:
undetectable		 3k4vC-1zipA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_D_ROCD201_2
(HIV-1 PROTEASE)		 3dl0 ADENYLATE KINASE
(Bacillus
subtilis) 		4 / 4 GLY A  32
ASP A  84
GLY A   7
THR A  89
 AP5  A 218 (-3.5A)
MG  A 220 ( 4.3A)
None
None
 0.96A 3k4vC-3dl0A:
undetectable		 3k4vC-3dl0A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_D_ROCD201_2
(HIV-1 PROTEASE)		 5g3z ADENYLATE KINSE
(synthetic
construct) 		4 / 4 GLY A  32
ASP A  84
GLY A   7
THR A  89
 AP5  A1217 (-3.6A)
MG  A1218 ( 4.4A)
None
None
 0.90A 3k4vC-5g3zA:
undetectable		 3k4vC-5g3zA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_A_ACTA207_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 5xru ADENYLATE KINASE
(Notothenia
coriiceps) 		4 / 7 LEU A 152
ARG A  97
THR A 157
ALA A 156
 None
AP5  A 201 (-3.1A)
None
None
 0.92A 3mbgA-5xruA:
undetectable
3mbgB-5xruA:
undetectable		 3mbgA-5xruA:
undetectable
3mbgB-5xruA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N62_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		4 / 8 SER A 167
ASN A  13
ASN A 195
ASP A 299
 None
AP5  A 346 (-4.1A)
None
AP5  A 346 ( 3.2A)
 1.04A 3n62B-3otxA:
undetectable		 3n62B-3otxA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 5xru ADENYLATE KINASE
(Notothenia
coriiceps) 		5 / 12 TYR A 153
TYR A 154
ALA A 120
GLY A 122
GLY A  18
 None
None
None
None
AP5  A 201 (-3.5A)
 1.23A 3ou7A-5xruA:
undetectable		 3ou7A-5xruA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TQB_A_FOLA2001_0
(DIHYDROFOLATE
REDUCTASE)		 4w5j ADENYLATE KINASE
(Streptococcus
pneumoniae) 		6 / 11 ALA A  94
LEU A   4
ASP A  98
LEU A 101
THR A  31
ILE A  29
 None
None
None
None
AP5  A 302 (-3.6A)
None
 1.33A 3tqbA-4w5jA:
3.1		 3tqbA-4w5jA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_A_ADNA353_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
SER A  64
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
NA  A 347 (-4.8A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.32A 3uboA-3otxA:
38.2		 3uboA-3otxA:
28.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_B_ADNB353_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.54A 3uboB-3otxA:
39.5		 3uboB-3otxA:
28.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_B_ADNB353_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		5 / 12 ASP A  17
GLY A  63
ASN A  67
LEU A  39
ASP A 299
 AP5  A 346 (-2.8A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 1.07A 3uboB-3otxA:
39.5		 3uboB-3otxA:
28.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		8 / 12 ASN A  13
ASP A  17
LEU A  39
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.36A 3uq6A-3otxA:
45.5		 3uq6A-3otxA:
30.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UQ6_B_ADNB401_1
(ADENOSINE KINASE,
PUTATIVE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
LEU A  39
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.38A 3uq6B-3otxA:
44.0		 3uq6B-3otxA:
30.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAQ_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		8 / 12 ASN A  13
ASP A  17
LEU A  39
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.41A 3vaqA-3otxA:
45.2		 3vaqA-3otxA:
30.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAQ_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
LEU A  39
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.44A 3vaqB-3otxA:
44.4		 3vaqB-3otxA:
30.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAS_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		8 / 12 ASN A  13
ASP A  17
LEU A  39
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.35A 3vasA-3otxA:
45.4		 3vasA-3otxA:
30.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VAS_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		8 / 12 ASN A  13
ASP A  17
LEU A  39
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.38A 3vasB-3otxA:
43.9		 3vasB-3otxA:
30.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DC3_A_ADNA401_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
LEU A  39
GLY A  62
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.6A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.43A 4dc3A-3otxA:
43.6		 4dc3A-3otxA:
30.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DC3_A_ADNA401_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASN A  13
LEU A  39
ASN A  67
LEU A 138
GLY A 298
ASP A 299
 AP5  A 346 (-4.1A)
None
AP5  A 346 (-3.4A)
None
AP5  A 346 (-3.2A)
AP5  A 346 ( 3.2A)
 1.38A 4dc3A-3otxA:
43.6		 4dc3A-3otxA:
30.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		8 / 12 ASN A  13
ASP A  17
LEU A  39
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.42A 4dc3B-3otxA:
45.5		 4dc3B-3otxA:
30.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASN A  13
LEU A  39
ASN A  67
LEU A 138
GLY A 298
ASP A 299
 AP5  A 346 (-4.1A)
None
AP5  A 346 (-3.4A)
None
AP5  A 346 (-3.2A)
AP5  A 346 ( 3.2A)
 1.42A 4dc3B-3otxA:
45.5		 4dc3B-3otxA:
30.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3A_A_ADNA500_1
(SUGAR KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.43A 4e3aA-3otxA:
39.6		 4e3aA-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3A_B_ADNB500_1
(SUGAR KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.43A 4e3aB-3otxA:
39.6		 4e3aB-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJJ_D_NCTD501_1
(CYTOCHROME P450 2A6)		 2aky ADENYLATE KINASE
(Saccharomyces
cerevisiae) 		4 / 7 GLY A  90
THR A  35
ILE A  72
LEU A 101
 AP5  A 301 (-4.3A)
AP5  A 301 (-3.0A)
None
None
 0.72A 4ejjD-2akyA:
undetectable		 4ejjD-2akyA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_C_KANC301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1s3g ADENYLATE KINASE
(Sporosarcina
globispora) 		5 / 12 ASP A  18
ASP A  33
ASP A  84
SER A 136
ARG A 123
 None
None
AP5  A 218 ( 4.7A)
AP5  A 218 (-2.8A)
AP5  A 218 (-3.6A)
 1.46A 4fewC-1s3gA:
0.0
4fewD-1s3gA:
0.0
4fewF-1s3gA:
0.0		 4fewC-1s3gA:
22.76
4fewD-1s3gA:
22.76
4fewF-1s3gA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKS_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.27A 4jksA-3otxA:
39.6		 4jksA-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKS_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.27A 4jksB-3otxA:
39.6		 4jksB-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKU_A_ADNA500_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.27A 4jkuA-3otxA:
39.7		 4jkuA-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKU_B_ADNB500_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.46A 4jkuB-3otxA:
39.6		 4jkuB-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JX1_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 1e4y ADENYLATE KINASE
(Escherichia
coli) 		5 / 10 GLY A  85
THR A  31
VAL A  64
ASP A  61
ILE A  65
 AP5  A 215 (-4.4A)
AP5  A 215 (-3.4A)
AP5  A 215 (-4.5A)
None
None
 1.04A 4jx1B-1e4yA:
undetectable		 4jx1B-1e4yA:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8C_A_ADNA401_1
(SUGAR KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.27A 4k8cA-3otxA:
39.5		 4k8cA-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8C_B_ADNB401_1
(SUGAR KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.27A 4k8cB-3otxA:
39.5		 4k8cB-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8K_A_ADNA401_1
(SUGAR KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.28A 4k8kA-3otxA:
39.5		 4k8kA-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8K_B_ADNB403_1
(SUGAR KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.27A 4k8kB-3otxA:
39.5		 4k8kB-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8P_A_ADNA401_1
(SUGAR KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.45A 4k8pA-3otxA:
39.6		 4k8pA-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8P_B_ADNB401_1
(SUGAR KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.45A 4k8pB-3otxA:
39.6		 4k8pB-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8T_A_ADNA401_1
(SUGAR KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.45A 4k8tA-3otxA:
39.5		 4k8tA-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8T_B_ADNB401_1
(SUGAR KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.45A 4k8tB-3otxA:
39.5		 4k8tB-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K93_A_ADNA401_1
(SUGAR KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.43A 4k93A-3otxA:
39.6		 4k93A-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K93_B_ADNB402_1
(SUGAR KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.42A 4k93B-3otxA:
39.6		 4k93B-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K9C_A_ADNA401_1
(SUGAR KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.47A 4k9cA-3otxA:
39.6		 4k9cA-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K9C_B_ADNB401_1
(SUGAR KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.45A 4k9cB-3otxA:
39.7		 4k9cB-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K9I_A_ADNA401_1
(SUGAR KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.43A 4k9iA-3otxA:
39.6		 4k9iA-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K9I_B_ADNB401_1
(SUGAR KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.45A 4k9iB-3otxA:
39.5		 4k9iB-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAD_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.45A 4kadA-3otxA:
39.5		 4kadA-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAD_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.47A 4kadB-3otxA:
39.7		 4kadB-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAH_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.26A 4kahA-3otxA:
39.6		 4kahA-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAH_B_ADNB502_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.26A 4kahB-3otxA:
39.5		 4kahB-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAL_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.27A 4kalA-3otxA:
39.5		 4kalA-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAL_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.28A 4kalB-3otxA:
39.6		 4kalB-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAN_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.27A 4kanA-3otxA:
39.6		 4kanA-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAN_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.27A 4kanB-3otxA:
39.6		 4kanB-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KBE_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.27A 4kbeA-3otxA:
39.7		 4kbeA-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KBE_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.27A 4kbeB-3otxA:
39.6		 4kbeB-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		 1e4y ADENYLATE KINASE
(Escherichia
coli) 		4 / 8 ARG A 156
ARG A 167
ASP A  84
ARG A  88
 AP5  A 215 (-2.8A)
AP5  A 215 (-2.8A)
AP5  A 215 ( 4.7A)
AP5  A 215 (-3.6A)
 1.41A 4kr4C-1e4yA:
0.0		 4kr4C-1e4yA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		 1s3g ADENYLATE KINASE
(Sporosarcina
globispora) 		4 / 8 ARG A 127
ARG A 160
ASP A  84
ARG A  36
 AP5  A 218 (-2.6A)
AP5  A 218 (-3.2A)
AP5  A 218 ( 4.7A)
AP5  A 218 (-2.5A)
 1.39A 4kr4C-1s3gA:
undetectable		 4kr4C-1s3gA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		 3fb4 ADENYLATE KINASE
(Jeotgalibacillus
marinus) 		4 / 8 ARG A 127
ARG A 160
ASP A  84
ARG A  36
 AP5  A   0 (-2.9A)
AP5  A   0 (-3.3A)
None
AP5  A   0 (-2.8A)
 1.33A 4kr4C-3fb4A:
undetectable		 4kr4C-3fb4A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		 5xru ADENYLATE KINASE
(Notothenia
coriiceps) 		4 / 8 ARG A 132
ARG A 138
ASP A  93
ARG A  44
 AP5  A 201 (-3.0A)
AP5  A 201 (-3.2A)
AP5  A 201 ( 4.7A)
AP5  A 201 (-2.9A)
 1.39A 4kr4C-5xruA:
undetectable		 4kr4C-5xruA:
13.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBG_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.28A 4lbgA-3otxA:
39.5		 4lbgA-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBG_A_ADNA402_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		5 / 10 THR A 264
VAL A 291
ALA A 297
ALA A 326
ILE A 330
 AP5  A 346 (-3.6A)
AP5  A 346 ( 4.9A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.0A)
AP5  A 346 (-4.9A)
 0.44A 4lbgA-3otxA:
39.5		 4lbgA-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBG_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.27A 4lbgB-3otxA:
39.6		 4lbgB-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBG_B_ADNB402_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		5 / 9 THR A 264
VAL A 291
ALA A 297
ALA A 326
ILE A 330
 AP5  A 346 (-3.6A)
AP5  A 346 ( 4.9A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.0A)
AP5  A 346 (-4.9A)
 0.49A 4lbgB-3otxA:
39.6		 4lbgB-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBX_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.44A 4lbxA-3otxA:
39.6		 4lbxA-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBX_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.45A 4lbxB-3otxA:
39.6		 4lbxB-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LC4_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.46A 4lc4A-3otxA:
39.5		 4lc4A-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LC4_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.46A 4lc4B-3otxA:
39.6		 4lc4B-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LCA_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.27A 4lcaA-3otxA:
39.6		 4lcaA-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LCA_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.26A 4lcaB-3otxA:
39.7		 4lcaB-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM9_A_FVXA603_1
(TRANSPORTER)		 1zak ADENYLATE KINASE
(Zea
mays) 		5 / 11 ASP A  38
GLY A  19
SER A  35
GLY A  91
ASP A 160
 None
AP5  A 223 (-3.6A)
None
AP5  A 223 (-4.9A)
None
 1.10A 4mm9A-1zakA:
undetectable		 4mm9A-1zakA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM9_A_FVXA603_1
(TRANSPORTER)		 4w5j ADENYLATE KINASE
(Streptococcus
pneumoniae) 		5 / 11 ASP A  33
GLY A  14
SER A  30
GLY A  86
ASP A 159
 None
AP5  A 302 (-3.5A)
AP5  A 302 ( 4.9A)
AP5  A 302 (-4.3A)
None
 1.13A 4mm9A-4w5jA:
undetectable		 4mm9A-4w5jA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM9_A_FVXA603_1
(TRANSPORTER)		 5g3z ADENYLATE KINSE
(synthetic
construct) 		5 / 11 ASP A  33
GLY A  14
SER A  30
GLY A  85
ASP A 163
 None
AP5  A1217 (-3.6A)
AP5  A1217 ( 4.8A)
AP5  A1217 (-4.3A)
None
 1.17A 4mm9A-5g3zA:
undetectable		 4mm9A-5g3zA:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM9_A_FVXA603_1
(TRANSPORTER)		 5xru ADENYLATE KINASE
(Notothenia
coriiceps) 		5 / 11 ASP A  41
GLY A  22
SER A  38
GLY A  94
ASP A 141
 None
AP5  A 201 (-3.5A)
AP5  A 201 ( 4.8A)
AP5  A 201 (-4.4A)
None
 1.10A 4mm9A-5xruA:
undetectable		 4mm9A-5xruA:
11.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMC_A_29JA603_1
(TRANSPORTER)		 1e4y ADENYLATE KINASE
(Escherichia
coli) 		5 / 10 ASP A  33
GLY A  14
SER A  30
GLY A  85
ASP A 159
 None
AP5  A 215 (-3.4A)
None
AP5  A 215 (-4.4A)
None
 1.20A 4mmcA-1e4yA:
undetectable		 4mmcA-1e4yA:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMC_A_29JA603_1
(TRANSPORTER)		 5xru ADENYLATE KINASE
(Notothenia
coriiceps) 		5 / 10 ASP A  41
GLY A  22
SER A  38
GLY A  94
ASP A 141
 None
AP5  A 201 (-3.5A)
AP5  A 201 ( 4.8A)
AP5  A 201 (-4.4A)
None
 1.26A 4mmcA-5xruA:
undetectable		 4mmcA-5xruA:
11.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		5 / 12 ASP A  17
LEU A  39
CYH A 123
ALA A 136
ASN A  67
 AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.7A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
 1.21A 4n09A-3otxA:
58.6		 4n09A-3otxA:
99.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		6 / 12 ASP A  17
LEU A  39
CYH A 123
ALA A 136
PHE A 169
GLY A 296
 AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.7A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.2A)
 0.71A 4n09A-3otxA:
58.6		 4n09A-3otxA:
99.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		10 / 12 CYH A  12
ASN A  13
ASP A  17
LEU A  39
GLY A  63
ASN A  67
CYH A 123
ALA A 136
PHE A 169
ASP A 299
 AP5  A 346 (-3.6A)
AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.7A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.18A 4n09A-3otxA:
58.6		 4n09A-3otxA:
99.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 CYH A  12
ASN A  13
LEU A  39
ASN A  67
PHE A 169
GLY A 298
ASP A 299
 AP5  A 346 (-3.6A)
AP5  A 346 (-4.1A)
None
AP5  A 346 (-3.4A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.2A)
AP5  A 346 ( 3.2A)
 1.15A 4n09A-3otxA:
58.6		 4n09A-3otxA:
99.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_A_ADNA401_2
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		4 / 4 LEU A  15
SER A  64
LEU A 134
LEU A 138
 AP5  A 346 (-4.4A)
NA  A 347 (-4.8A)
AP5  A 346 ( 4.4A)
None
 0.22A 4n09A-3otxA:
58.6		 4n09A-3otxA:
99.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_B_ADNB401_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		8 / 12 ASP A  17
LEU A  39
GLY A  62
GLY A  63
CYH A 123
ALA A 136
PHE A 169
GLY A 296
 AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.7A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.2A)
 0.64A 4n09B-3otxA:
58.2		 4n09B-3otxA:
99.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_B_ADNB401_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		11 / 12 CYH A  12
ASN A  13
ASP A  17
LEU A  39
GLY A  62
GLY A  63
ASN A  67
CYH A 123
ALA A 136
PHE A 169
ASP A 299
 AP5  A 346 (-3.6A)
AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.7A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.19A 4n09B-3otxA:
58.2		 4n09B-3otxA:
99.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_B_ADNB401_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		8 / 12 CYH A  12
ASN A  13
LEU A  39
GLY A  63
ASN A  67
PHE A 169
GLY A 298
ASP A 299
 AP5  A 346 (-3.6A)
AP5  A 346 (-4.1A)
None
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.2A)
AP5  A 346 ( 3.2A)
 1.06A 4n09B-3otxA:
58.2		 4n09B-3otxA:
99.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_B_ADNB401_2
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		4 / 5 LEU A  15
SER A  64
LEU A 134
LEU A 138
 AP5  A 346 (-4.4A)
NA  A 347 (-4.8A)
AP5  A 346 ( 4.4A)
None
 0.22A 4n09B-3otxA:
58.2		 4n09B-3otxA:
99.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_C_ADNC401_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		9 / 12 ASP A  17
LEU A  39
GLY A  62
GLY A  63
CYH A 123
ALA A 136
LEU A 138
PHE A 169
GLY A 296
 AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.7A)
AP5  A 346 (-3.5A)
None
AP5  A 346 (-3.4A)
AP5  A 346 (-3.2A)
 0.64A 4n09C-3otxA:
58.3		 4n09C-3otxA:
99.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_C_ADNC401_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		11 / 12 CYH A  12
ASP A  17
LEU A  39
GLY A  62
GLY A  63
ASN A  67
CYH A 123
ALA A 136
LEU A 138
PHE A 169
ASP A 299
 AP5  A 346 (-3.6A)
AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.7A)
AP5  A 346 (-3.5A)
None
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.20A 4n09C-3otxA:
58.3		 4n09C-3otxA:
99.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_C_ADNC401_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		8 / 12 CYH A  12
LEU A  39
GLY A  63
ASN A  67
LEU A 138
PHE A 169
GLY A 298
ASP A 299
 AP5  A 346 (-3.6A)
None
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 (-3.4A)
AP5  A 346 (-3.2A)
AP5  A 346 ( 3.2A)
 1.09A 4n09C-3otxA:
58.3		 4n09C-3otxA:
99.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_C_ADNC401_2
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		4 / 5 ASN A  13
LEU A  15
SER A  64
LEU A 134
 AP5  A 346 (-4.1A)
AP5  A 346 (-4.4A)
NA  A 347 (-4.8A)
AP5  A 346 ( 4.4A)
 0.20A 4n09C-3otxA:
58.3		 4n09C-3otxA:
99.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_D_ADND401_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		10 / 12 ASN A  13
ASP A  17
LEU A  39
GLY A  62
GLY A  63
ASN A  67
CYH A 123
ALA A 136
PHE A 169
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.7A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.18A 4n09D-3otxA:
58.3		 4n09D-3otxA:
99.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_D_ADND401_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASN A  13
LEU A  39
GLY A  63
ASN A  67
PHE A 169
GLY A 298
ASP A 299
 AP5  A 346 (-4.1A)
None
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.2A)
AP5  A 346 ( 3.2A)
 1.06A 4n09D-3otxA:
58.3		 4n09D-3otxA:
99.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_D_ADND401_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		7 / 12 ASP A  17
LEU A  39
GLY A  62
GLY A  63
CYH A 123
ALA A 136
GLY A 296
 AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.7A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.2A)
 0.64A 4n09D-3otxA:
58.3		 4n09D-3otxA:
99.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N09_D_ADND401_2
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		5 / 5 CYH A  12
LEU A  15
SER A  64
LEU A 134
LEU A 138
 AP5  A 346 (-3.6A)
AP5  A 346 (-4.4A)
NA  A 347 (-4.8A)
AP5  A 346 ( 4.4A)
None
 0.26A 4n09D-3otxA:
58.3		 4n09D-3otxA:
99.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		 5xru ADENYLATE KINASE
(Notothenia
coriiceps) 		5 / 12 GLY A  94
ILE A  92
LEU A  42
LEU A  73
ILE A  81
 AP5  A 201 (-4.4A)
None
None
None
None
 1.06A 4pd4C-5xruA:
undetectable		 4pd4C-5xruA:
11.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		 3fb4 ADENYLATE KINASE
(Jeotgalibacillus
marinus) 		5 / 12 GLY A  12
GLN A  16
ALA A  11
VAL A 115
ILE A 208
 AP5  A   0 (-3.4A)
None
AP5  A   0 (-4.4A)
None
None
 1.23A 4pd5A-3fb4A:
undetectable		 4pd5A-3fb4A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		 4w5j ADENYLATE KINASE
(Streptococcus
pneumoniae) 		5 / 12 GLY A  12
GLN A  16
ALA A  11
VAL A 116
ILE A 204
 AP5  A 302 (-3.3A)
None
AP5  A 302 (-4.5A)
None
None
 1.15A 4pd5A-4w5jA:
undetectable		 4pd5A-4w5jA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD9_A_ADNA501_1
(NUPC FAMILY PROTEIN)		 4w5j ADENYLATE KINASE
(Streptococcus
pneumoniae) 		5 / 12 GLY A  12
GLN A  16
ALA A  11
VAL A 116
ILE A 204
 AP5  A 302 (-3.3A)
None
AP5  A 302 (-4.5A)
None
None
 1.14A 4pd9A-4w5jA:
undetectable		 4pd9A-4w5jA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PEV_A_ADNA501_1
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 1zip ADENYLATE KINASE
(Geobacillus
stearothermophil
us) 		5 / 12 VAL A  59
SER A  30
GLY A  32
ASP A  84
LYS A  13
 AP5  A 218 (-4.0A)
AP5  A 218 ( 4.6A)
AP5  A 218 (-3.6A)
MN  A 220 ( 4.3A)
AP5  A 218 (-3.0A)
 1.48A 4pevA-1zipA:
2.3		 4pevA-1zipA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PEV_A_ADNA501_1
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 3fb4 ADENYLATE KINASE
(Jeotgalibacillus
marinus) 		5 / 12 VAL A  59
SER A  30
GLY A  32
ASP A  84
LYS A  13
 AP5  A   0 (-4.0A)
AP5  A   0 ( 4.6A)
AP5  A   0 (-3.6A)
None
AP5  A   0 (-3.1A)
 1.49A 4pevA-3fb4A:
3.8		 4pevA-3fb4A:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PEV_A_ADNA501_1
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 5xru ADENYLATE KINASE
(Notothenia
coriiceps) 		5 / 12 VAL A  67
SER A  38
GLY A  40
ASP A  93
LYS A  21
 AP5  A 201 (-4.0A)
AP5  A 201 ( 4.8A)
AP5  A 201 (-3.5A)
AP5  A 201 ( 4.7A)
AP5  A 201 (-2.8A)
 1.45A 4pevA-5xruA:
3.6		 4pevA-5xruA:
10.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PEV_B_ADNB501_1
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 5xru ADENYLATE KINASE
(Notothenia
coriiceps) 		5 / 12 VAL A  67
SER A  38
GLY A  40
ASP A  93
LYS A  21
 AP5  A 201 (-4.0A)
AP5  A 201 ( 4.8A)
AP5  A 201 (-3.5A)
AP5  A 201 ( 4.7A)
AP5  A 201 (-2.8A)
 1.42A 4pevB-5xruA:
3.5		 4pevB-5xruA:
10.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PEV_C_ADNC501_1
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 1e4y ADENYLATE KINASE
(Escherichia
coli) 		5 / 12 VAL A  64
SER A  30
GLY A  32
ASP A  84
LYS A  13
 AP5  A 215 (-4.5A)
None
AP5  A 215 (-3.1A)
AP5  A 215 ( 4.7A)
AP5  A 215 (-2.9A)
 1.42A 4pevC-1e4yA:
3.0		 4pevC-1e4yA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PEV_C_ADNC501_1
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 1zip ADENYLATE KINASE
(Geobacillus
stearothermophil
us) 		5 / 12 VAL A  59
SER A  30
GLY A  32
ASP A  84
LYS A  13
 AP5  A 218 (-4.0A)
AP5  A 218 ( 4.6A)
AP5  A 218 (-3.6A)
MN  A 220 ( 4.3A)
AP5  A 218 (-3.0A)
 1.43A 4pevC-1zipA:
undetectable		 4pevC-1zipA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PEV_C_ADNC501_1
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 3fb4 ADENYLATE KINASE
(Jeotgalibacillus
marinus) 		5 / 12 VAL A  59
SER A  30
GLY A  32
ASP A  84
LYS A  13
 AP5  A   0 (-4.0A)
AP5  A   0 ( 4.6A)
AP5  A   0 (-3.6A)
None
AP5  A   0 (-3.1A)
 1.44A 4pevC-3fb4A:
undetectable		 4pevC-3fb4A:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PEV_C_ADNC501_1
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 5xru ADENYLATE KINASE
(Notothenia
coriiceps) 		5 / 12 VAL A  67
SER A  38
GLY A  40
ASP A  93
LYS A  21
 AP5  A 201 (-4.0A)
AP5  A 201 ( 4.8A)
AP5  A 201 (-3.5A)
AP5  A 201 ( 4.7A)
AP5  A 201 (-2.8A)
 1.40A 4pevC-5xruA:
undetectable		 4pevC-5xruA:
10.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RDX_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 4w5j ADENYLATE KINASE
(Streptococcus
pneumoniae) 		4 / 7 THR A 137
ARG A 124
GLY A  12
GLY A  14
 AP5  A 302 (-3.0A)
AP5  A 302 (-3.5A)
AP5  A 302 (-3.3A)
AP5  A 302 (-3.5A)
 0.85A 4rdxA-4w5jA:
2.4		 4rdxA-4w5jA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RDX_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 5g3z ADENYLATE KINSE
(synthetic
construct) 		4 / 7 THR A 136
ARG A 123
GLY A  12
GLY A  14
 AP5  A1217 (-3.1A)
AP5  A1217 (-3.7A)
AP5  A1217 (-3.1A)
AP5  A1217 (-3.6A)
 0.90A 4rdxA-5g3zA:
2.1		 4rdxA-5g3zA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		5 / 12 ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.16A 4ubeA-3otxA:
27.7		 4ubeA-3otxA:
24.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XV2_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 5g3z ADENYLATE KINSE
(synthetic
construct) 		4 / 4 GLY A  85
VAL A   4
PHE A 205
ILE A  20
 AP5  A1217 (-4.3A)
None
None
None
 1.17A 4xv2B-5g3zA:
undetectable		 4xv2B-5g3zA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y8W_B_STRB603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 1e4y ADENYLATE KINASE
(Escherichia
coli) 		5 / 12 VAL A  59
LEU A  58
ASP A 158
GLY A  56
LEU A   9
 AP5  A 215 (-3.7A)
AP5  A 215 (-4.1A)
None
AP5  A 215 ( 4.6A)
AP5  A 215 (-3.9A)
 1.08A 4y8wB-1e4yA:
0.0		 4y8wB-1e4yA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BPH_B_ACTB404_0
(D-ALANINE--D-ALANINE
LIGASE)		 1zak ADENYLATE KINASE
(Zea
mays) 		4 / 7 LYS A  18
ARG A  94
GLY A  37
SER A  35
 AP5  A 223 (-2.7A)
AP5  A 223 (-2.9A)
AP5  A 223 (-3.6A)
None
 1.03A 5bphB-1zakA:
2.1		 5bphB-1zakA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGV_A_ZITA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 2aky ADENYLATE KINASE
(Saccharomyces
cerevisiae) 		4 / 4 ASN A  23
ILE A 134
TYR A 142
PHE A 146
 None
None
None
AP5  A 301 (-4.7A)
 1.31A 5igvA-2akyA:
undetectable		 5igvA-2akyA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IK1_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 1e4y ADENYLATE KINASE
(Escherichia
coli) 		5 / 7 GLY A  85
THR A  31
ASP A  61
ILE A  65
VAL A  64
 AP5  A 215 (-4.4A)
AP5  A 215 (-3.4A)
None
None
AP5  A 215 (-4.5A)
 1.37A 5ik1A-1e4yA:
0.0		 5ik1A-1e4yA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IK1_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 1e4y ADENYLATE KINASE
(Escherichia
coli) 		5 / 7 GLY A  85
THR A  31
VAL A  64
ASP A  61
ILE A  65
 AP5  A 215 (-4.4A)
AP5  A 215 (-3.4A)
AP5  A 215 (-4.5A)
None
None
 1.09A 5ik1A-1e4yA:
0.0		 5ik1A-1e4yA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IK1_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 1e4y ADENYLATE KINASE
(Escherichia
coli) 		5 / 7 GLY A  85
THR A  31
VAL A  64
ILE A  65
VAL A  68
 AP5  A 215 (-4.4A)
AP5  A 215 (-3.4A)
AP5  A 215 (-4.5A)
None
None
 1.36A 5ik1A-1e4yA:
0.0		 5ik1A-1e4yA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JO9_A_SORA302_0
(RIBITOL
2-DEHYDROGENASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		5 / 12 LEU A  66
GLU A 106
GLY A  62
PRO A  61
VAL A  60
 None
None
AP5  A 346 (-3.6A)
None
None
 1.25A 5jo9A-3otxA:
7.6		 5jo9A-3otxA:
23.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		10 / 12 ASP A  17
LEU A  39
GLY A  62
GLY A  63
ASN A  67
CYH A 123
ALA A 136
LEU A 138
PHE A 169
ASP A 299
 AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.7A)
AP5  A 346 (-3.5A)
None
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.24A 5kb5A-3otxA:
50.2		 5kb5A-3otxA:
41.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KB5_A_ADNA401_2
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		4 / 4 ASN A  13
LEU A  15
SER A  64
LEU A 134
 AP5  A 346 (-4.1A)
AP5  A 346 (-4.4A)
NA  A 347 (-4.8A)
AP5  A 346 ( 4.4A)
 0.23A 5kb5A-3otxA:
50.2		 5kb5A-3otxA:
41.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KB6_A_ADNA401_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		9 / 12 THR A 264
THR A 270
VAL A 283
GLN A 288
ALA A 297
GLY A 298
HIS A 323
ALA A 326
ILE A 330
 AP5  A 346 (-3.6A)
AP5  A 346 (-4.5A)
AP5  A 346 (-4.1A)
AP5  A 346 (-3.1A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.2A)
AP5  A 346 (-3.8A)
AP5  A 346 (-3.0A)
AP5  A 346 (-4.9A)
 0.51A 5kb6A-3otxA:
44.6		 5kb6A-3otxA:
40.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KB6_B_ADNB401_1
(ADENOSINE KINASE)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		8 / 12 THR A 264
VAL A 283
GLN A 288
ALA A 297
GLY A 298
HIS A 323
ALA A 326
ILE A 330
 AP5  A 346 (-3.6A)
AP5  A 346 (-4.1A)
AP5  A 346 (-3.1A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.2A)
AP5  A 346 (-3.8A)
AP5  A 346 (-3.0A)
AP5  A 346 (-4.9A)
 0.54A 5kb6B-3otxA:
44.8		 5kb6B-3otxA:
40.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KR1_B_017B101_1
(PROTEASE PR5-DRV)		 4w5j ADENYLATE KINASE
(Streptococcus
pneumoniae) 		5 / 10 ARG A 124
LEU A 121
ILE A 179
ILE A   5
VAL A 116
 AP5  A 302 (-3.5A)
None
None
None
None
 0.99A 5kr1A-4w5jA:
undetectable		 5kr1A-4w5jA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M50_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 1e4y ADENYLATE KINASE
(Escherichia
coli) 		5 / 12 ASP A 159
THR A  60
ARG A 156
GLY A  32
LEU A  35
 None
None
AP5  A 215 (-2.8A)
AP5  A 215 (-3.1A)
None
 1.37A 5m50B-1e4yA:
2.1		 5m50B-1e4yA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO7_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3be4 ADENYLATE KINASE
(Cryptosporidium
parvum) 		4 / 8 SER A  60
ARG A  93
VAL A 175
PHE A  63
 None
AP5  A 219 (-2.6A)
None
AP5  A 219 ( 4.7A)
 1.32A 5uo7A-3be4A:
undetectable
5uo7B-3be4A:
undetectable		 5uo7A-3be4A:
18.25
5uo7B-3be4A:
18.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUN_A_ACTA804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5xru ADENYLATE KINASE
(Notothenia
coriiceps) 		4 / 5 GLY A  22
GLN A  24
VAL A  13
SER A  19
 AP5  A 201 (-3.5A)
None
None
AP5  A 201 (-3.5A)
 1.19A 5vunA-5xruA:
undetectable		 5vunA-5xruA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BRD_B_RFPB502_1
(RIFAMPIN
MONOOXYGENASE)		 3dl0 ADENYLATE KINASE
(Bacillus
subtilis) 		5 / 12 HIS A  28
VAL A 115
THR A  15
GLY A  14
GLY A  17
 None
None
AP5  A 218 (-3.6A)
AP5  A 218 (-3.7A)
None
 1.19A 6brdB-3dl0A:
undetectable		 6brdB-3dl0A:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 5xru ADENYLATE KINASE
(Notothenia
coriiceps) 		4 / 6 SER A  19
ASP A  93
GLN A  24
THR A 157
 AP5  A 201 (-3.5A)
AP5  A 201 ( 4.7A)
None
None
 1.47A 6djzA-5xruA:
undetectable		 6djzA-5xruA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_A_ADNA503_1
(ADENOSYLHOMOCYSTEINA
SE)		 1zip ADENYLATE KINASE
(Geobacillus
stearothermophil
us) 		3 / 3 LEU A 120
GLN A 117
LYS A  13
 None
None
AP5  A 218 (-3.0A)
 0.93A 6exiB-1zipA:
undetectable		 6exiB-1zipA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_A_ADNA503_1
(ADENOSYLHOMOCYSTEINA
SE)		 3fb4 ADENYLATE KINASE
(Jeotgalibacillus
marinus) 		3 / 3 LEU A 120
GLN A 117
LYS A  13
 None
None
AP5  A   0 (-3.1A)
 0.75A 6exiB-3fb4A:
undetectable		 6exiB-3fb4A:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_B_ADNB503_0
(ADENOSYLHOMOCYSTEINA
SE)		 1zip ADENYLATE KINASE
(Geobacillus
stearothermophil
us) 		3 / 3 LEU A 120
GLN A 117
LYS A  13
 None
None
AP5  A 218 (-3.0A)
 0.90A 6exiA-1zipA:
undetectable		 6exiA-1zipA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_B_ADNB503_0
(ADENOSYLHOMOCYSTEINA
SE)		 3fb4 ADENYLATE KINASE
(Jeotgalibacillus
marinus) 		3 / 3 LEU A 120
GLN A 117
LYS A  13
 None
None
AP5  A   0 (-3.1A)
 0.70A 6exiA-3fb4A:
undetectable		 6exiA-3fb4A:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNE_B_ACRB602_2
(-)		 3otx ADENOSINE KINASE,
PUTATIVE
(Trypanosoma
brucei) 		4 / 8 VAL A  68
TYR A 165
ASN A  13
CYH A 123
 None
None
AP5  A 346 (-4.1A)
AP5  A 346 (-3.7A)
 1.24A 6gneB-3otxA:
6.2		 6gneB-3otxA:
20.72